methyl (1Z,2S,3S)-3-(furan-2-yl)-N-(4-methylphenyl)sulfonyl-4-nitro-2-phenyl-butanimidate

Systemtic Name: methyl (1Z,2S,3S)-3-(furan-2-yl)-N-(4-methylphenyl)sulfonyl-4-nitro-2-phenyl-butanimidate Openeye Name: methyl (1Z,2S,3S)-3-(2-furyl)-4-nitro-2-phenyl-N-(p-tolylsulfonyl)butanimidate CAS Name: (1Z,2S,3S)-3-(2-furanyl)-N-(4-methylphenyl)sulfonyl-4-nitro-2-phenylbutanimidic acid methyl ester IUPAC Name: methyl (1Z,2S,3S)-3-(furan-2-yl)-N-(4-methylphenyl)sulfonyl-4-nitro-2-phenylbutanimidate Traditional Name: (1Z,2S,3S)-3-(2-furyl)-4-nitro-2-phenyl-N-tosyl-butyrimidic acid methyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C(C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=CO3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(/[C@H](C2=CC=CC=C2)[C@@H](C[N+](=O)[O-])C3=CC=CO3)\OC

InChI

InChI=1S/C22H22N2O6S/c1-16-10-12-18(13-11-16)31(27,28)23-22(29-2)21(17-7-4-3-5-8-17)19(15-24(25)26)20-9-6-14-30-20/h3-14,19,21H,15H2,1-2H3/b23-22-/t19-,21+/m0/s1